N-(1-Bromoisoquinolin-3-yl)-1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamide

HCID 57732996

Basic information

Standard SMILES
O=C(Nc1cc2ccccc2c(Br)n1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1
InChIKey
UMPNPDBYIDATAM-UHFFFAOYSA-N
Molecular formula
C20H13BrF2N2O3
Average molar mass
447.2 g/mol

Names & identifiers

Preferred name
N-(1-Bromoisoquinolin-3-yl)-1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamide
IUPAC
N-(1-bromoisoquinolin-3-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide

Names & synonyms

N-(1-Bromoisoquinolin-3-yl)-1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamideSCHEMBL4167618N-(1-bromoisoquinolin-3-yl)-1-(2,2-difluorobenzo[d][1,3]-dioxol-5-yl)cyclopropanecarboxamide

Database identifiers

PubChem CID
57732996

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
60.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
28

Related reactions

27 records

Compound notes

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